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- PDB-1hya: HYALURONIC ACID, STRUCTURE OF A FULLY EXTENDED 3-FOLD HELICAL SOD... -

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Entry
Database: PDB / ID: 1hya
TitleHYALURONIC ACID, STRUCTURE OF A FULLY EXTENDED 3-FOLD HELICAL SODIUM SALT AND COMPARISON WITH THE LESS EXTENDED 4-FOLD HELICAL FORMS
Components
KeywordsTEXTURE OF CONNECTIVE TISSUE
MethodX-RAY DIFFRACTION / 3 Å resolution
AuthorsArnott, S.
Citation
Journal: J.Mol.Biol. / Year: 1975
Title: Hyaluronic acid: structure of a fully extended 3-fold helical sodium salt and comparison with the less extended 4-fold helical forms.
Authors: Winter, W.T. / Smith, P.J. / Arnott, S.
#1: Journal: Acta Crystallogr.,Sect.A / Year: 1978
Title: Lals, a Linked-Atom Least-Squares Reciprocal-Space Refinement System Incorporating Stereochemical Restraints to Supplement Sparse Diffraction Data
Authors: Smith, P.J.C. / Arnott, S.
#2: Journal: J.Mol.Biol. / Year: 1975
Title: Hyaluronic Acid, Molecular Conformations and Interactions in Two Sodium Salts
Authors: Guss, J.M. / Hukins, D.W.L. / Smith, P.J.C. / Winter, W.T. / Arnott, S. / Moorhouse, R. / Rees, D.A.
Validation Report
SummaryFull reportAbout validation report
DateDeposition: Nov 20, 1977 / Release: May 17, 1978
RevisionDateData content typeGroupProviderType
1.0May 17, 1978Structure modelrepositoryInitial release
1.1Mar 3, 2008Structure modelVersion format compliance
1.2Jul 13, 2011Structure modelNon-polymer description / Version format compliance
1.3Nov 16, 2011Structure modelAtomic model

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Assembly

Deposited unit
hetero molecules


Theoretical massNumber of molelcules
Total (without water)1,3159
Polyers0
Non-polymers1,3159
Water21612
Unit cell
γ
α
β
Length a, b, c (Å)11.700, 11.700, 28.500
Angle α, β, γ (deg.)90.00, 90.00, 120.00
Int Tables number154
Space group name H-MP 32 2 1
DetailsTHE SIX-RESIDUE CHAIN SEGMENT GIVEN HERE WAS GENERATED FROM THE PUBLISHED TWO-RESIDUE SEGMENT BY APPLICATION OF THE THREE-FOLD SCREW AXIS LOCATED AT (2/3, 1/3, Z). THE EQUIPOINTS (IN FRACTIONAL COORDINATES) WHICH WERE USED ARE (X, Y, Z), (Y-X+1, -X+1, Z+1/3), (-Y+1, X-Y, Z+2/3) .

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Components

#1: Chemical ChemComp-GCU / D-GLUCURONIC ACID


Mass: 194.139 Da / Num. of mol.: 3 / Formula: C6H10O7 / Glucuronic acid
#2: Chemical ChemComp-NAG / N-ACETYL-D-GLUCOSAMINE


Mass: 221.208 Da / Num. of mol.: 3 / Formula: C8H15NO6 / N-Acetylglucosamine
#3: Chemical ChemComp-NA / SODIUM ION


Mass: 22.990 Da / Num. of mol.: 3 / Formula: Na / Sodium
#4: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 12 / Formula: H2O / Water
Nonpolymer detailsTHE GLUCURONIC ACID-GLUCOSAMINE LINKAGE IS BETA(1,3) AND THE GLUCOSAMINE-GLUCURONIC ACID LINKAGE IS BETA(1,4).

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION

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Sample preparation

Crystal grow
*PLUS
Method: other

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Processing

Software
NameVersionClassification
LINKED-ATOMLEAST-SQUARES MODEL-BUILDING PROCEDURErefinement
LALSrefinement
Least-squares processHighest resolution: 3 Å
Refine hist #LASTHighest resolution: 3 Å
Number of atoms included #LASTProtein: 0 / Nucleic acid: 0 / Ligand: 81 / Solvent: 12 / Total: 93

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